2-methyl-1-[2-(4-methylpyrazol-1-yl)ethyl]-3-(2-thiophen-2-ylethyl)guanidine

C14H21N5S — CID 111766501

IUPAC2-methyl-1-[2-(4-methylpyrazol-1-yl)ethyl]-3-(2-thiophen-2-ylethyl)guanidine
SMILESC/N=C(\NCCc1cccs1)NCCn1cc(C)cn1
InChIInChI=1S/C14H21N5S/c1-12-10-18-19(11-12)8-7-17-14(15-2)16-6-5-13-4-3-9-20-13/h3-4,9-11H,5-8H2,1-2H3,(H2,15,16,17)
InChIKeyWIMNZRPEAAHGSR-UHFFFAOYSA-N
MW291.42 g/mol
LogP1.66
Rot. Bonds6

About 2-methyl-1-[2-(4-methylpyrazol-1-yl)ethyl]-3-(2-thiophen-2-ylethyl)guanidine

2-methyl-1-[2-(4-methylpyrazol-1-yl)ethyl]-3-(2-thiophen-2-ylethyl)guanidine (PubChem CID 111766501) has the molecular formula C14H21N5S and a molecular weight of 291.42 g/mol. Its IUPAC name is 2-methyl-1-[2-(4-methylpyrazol-1-yl)ethyl]-3-(2-thiophen-2-ylethyl)guanidine.

Molecular Properties

Compound Name2-methyl-1-[2-(4-methylpyrazol-1-yl)ethyl]-3-(2-thiophen-2-ylethyl)guanidine
PubChem CID111766501
Molecular FormulaC14H21N5S
Molecular Weight291.42 g/mol
Exact Mass291.15
IUPAC Name2-methyl-1-[2-(4-methylpyrazol-1-yl)ethyl]-3-(2-thiophen-2-ylethyl)guanidine
SMILESC/N=C(\NCCc1cccs1)NCCn1cc(C)cn1
InChIInChI=1S/C14H21N5S/c1-12-10-18-19(11-12)8-7-17-14(15-2)16-6-5-13-4-3-9-20-13/h3-4,9-11H,5-8H2,1-2H3,(H2,15,16,17)
InChIKeyWIMNZRPEAAHGSR-UHFFFAOYSA-N
XLogP1.66
TPSA54.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-butyl-2-methyl-3-[2-(4-methylpyrazol-1-yl)ethyl]guanidine;hydroiodide
CID 111761388
1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-2-methyl-3-(2-thiophen-2-ylethyl)guanidine
CID 111350194
1-[2-(2-chlorophenyl)ethyl]-2-methyl-3-(2-thiophen-2-ylethyl)guanidine
CID 111351240
2-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-(2-thiophen-2-ylethyl)guanidine
CID 111349774
2-methyl-1-[2-(4-methylpyrazol-1-yl)ethyl]-3-prop-2-enylguanidine;hydroiodide
CID 111759336
1-[2-(2-chlorophenyl)ethyl]-2-methyl-3-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111351239
1-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-2-methyl-3-(2-thiophen-2-ylethyl)guanidine
CID 111349464
2-methyl-1-[2-(4-methylpyrazol-1-yl)ethyl]-3-[[4-(trifluoromethyl)phenyl]methyl]guanidine
CID 111769441
1-benzyl-2-methyl-3-(2-thiophen-2-ylethyl)guanidine
CID 110954188
2-methyl-N-[2-[[N'-methyl-N-(2-thiophen-2-ylethyl)carbamimidoyl]amino]ethyl]propanamide
CID 111350666
1-[2-(tert-butylamino)ethyl]-2-methyl-3-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111766480
1-[2-(5-iodothiophen-2-yl)ethyl]-2-methyl-3-(2-thiophen-2-ylethyl)guanidine
CID 111349158

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-(4-methylpyrazol-1-yl)ethyl]-3-(2-thiophen-2-ylethyl)guanidine?
The IUPAC name of 2-methyl-1-[2-(4-methylpyrazol-1-yl)ethyl]-3-(2-thiophen-2-ylethyl)guanidine (CID 111766501) is 2-methyl-1-[2-(4-methylpyrazol-1-yl)ethyl]-3-(2-thiophen-2-ylethyl)guanidine.
What is the SMILES notation for 2-methyl-1-[2-(4-methylpyrazol-1-yl)ethyl]-3-(2-thiophen-2-ylethyl)guanidine?
The canonical SMILES for 2-methyl-1-[2-(4-methylpyrazol-1-yl)ethyl]-3-(2-thiophen-2-ylethyl)guanidine is C/N=C(\NCCc1cccs1)NCCn1cc(C)cn1.
What is the InChIKey of 2-methyl-1-[2-(4-methylpyrazol-1-yl)ethyl]-3-(2-thiophen-2-ylethyl)guanidine?
The InChIKey is WIMNZRPEAAHGSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5S/c1-12-10-18-19(11-12)8-7-17-14(15-2)16-6-5-13-4-3-9-20-13/h3-4,9-11H,5-8H2,1-2H3,(H2,15,16,17).
What are the key properties of 2-methyl-1-[2-(4-methylpyrazol-1-yl)ethyl]-3-(2-thiophen-2-ylethyl)guanidine?
2-methyl-1-[2-(4-methylpyrazol-1-yl)ethyl]-3-(2-thiophen-2-ylethyl)guanidine has a molecular weight of 291.42 g/mol, XLogP of 1.66, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2-(4-methylpyrazol-1-yl)ethyl]-3-(2-thiophen-2-ylethyl)guanidine is sourced from PubChem (CID 111766501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).